Geometry & MOs

Info

ID:	43919
PubChem CID:	10321980
Reduced:	SN5O5C20H37 (1)
Stoich.:	AB5C5D20E37 (1)
Weight, g/mol:	459.280715
ΔH_f, kcal/mol:	-257.06
Dipole, Da:	10.01
IP(EA), eV:	-9.13(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]methanesulfinamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCS)C(=O)O)N

DOS

IR

Vibrations